#DFF:MSD
#Model Structure Data File    Energy = 97.066842
PBC:   21.291028   21.291028   21.291028   90.000000   90.000000   90.000000  
28
1      C0     6    c2           c_4   -0.129000  -5.527842     1.412476    -1.537813     1    UNK       1
2      C1     6    c1           c_4   -0.086000  -5.354515     0.770159    -0.056455     1    UNK       2
3      C2     6    c1           c_4   -0.086000  -5.283160    -0.748433     0.091408     1    UNK       3
4      C3     6    c2           c_4   -0.129000  -5.110613    -1.401846     1.562492     1    UNK       4
5      H4     1    h3           h_1    0.043000  -5.589193     0.595970    -2.446561     1    UNK       1
6      H5     1    h3           h_1    0.043000  -6.525077     1.942971    -1.393303     1    UNK       1
7      H6     1    h3           h_1    0.043000  -4.563543     2.015879    -1.591194     1    UNK       1
8      H7     1    h3           h_1    0.043000  -6.152283     1.139941     0.594518     1    UNK       2
9      H8     1    h3           h_1    0.043000  -4.472425     1.202520     0.425189     1    UNK       2
10     H9     1    h3           h_1    0.043000  -4.589776    -1.108653    -0.597477     1    UNK       3
11     H10    1    h3           h_1    0.043000  -6.071478    -1.163750    -0.448195     1    UNK       3
12     H11    1    h3           h_1    0.043000  -5.105784    -2.448568     1.225681     1    UNK       4
13     H12    1    h3           h_1    0.043000  -4.085341    -0.983963     1.888178     1    UNK       4
14     H13    1    h3           h_1    0.043000  -6.078000    -1.057576     2.089172     1    UNK       4
15     C0     6    c2           c_4   -0.129000   4.257171    -1.744516    -0.422469     2    UNK       5
16     C1     6    c1           c_4   -0.086000   4.815052    -0.222079    -0.511968     2    UNK       6
17     C2     6    c1           c_4   -0.086000   5.836050     0.257052     0.518097     2    UNK       7
18     C3     6    c2           c_4   -0.129000   6.400511     1.772378     0.440191     2    UNK       8
19     H4     1    h3           h_1    0.043000   4.717596    -2.405854     0.497776     2    UNK       5
20     H5     1    h3           h_1    0.043000   3.151444    -1.526552    -0.259362     2    UNK       5
21     H6     1    h3           h_1    0.043000   4.619129    -2.133105    -1.429842     2    UNK       5
22     H7     1    h3           h_1    0.043000   3.971108     0.474123    -0.506246     2    UNK       6
23     H8     1    h3           h_1    0.043000   5.227164    -0.045150    -1.509910     2    UNK       6
24     H9     1    h3           h_1    0.043000   6.592770    -0.456184     0.579976     2    UNK       7
25     H10    1    h3           h_1    0.043000   5.484840     0.002030     1.465069     2    UNK       7
26     H11    1    h3           h_1    0.043000   7.065068     1.694639     1.312774     2    UNK       8
27     H12    1    h3           h_1    0.043000   6.930605     1.774852    -0.584890     2    UNK       8
28     H13    1    h3           h_1    0.043000   5.440514     2.391236     0.605152     2    UNK       8
26
1      2      1     
2      3      1     
3      4      1     
1      5      1     
1      6      1     
1      7      1     
2      8      1     
2      9      1     
3      10     1     
3      11     1     
4      12     1     
4      13     1     
4      14     1     
15     16     1     
16     17     1     
17     18     1     
15     19     1     
15     20     1     
15     21     1     
16     22     1     
16     23     1     
17     24     1     
17     25     1     
18     26     1     
18     27     1     
18     28     1     
